4,5-dimethoxy-2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
4,5-dimethoxy-2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
4,5-dimethoxy-2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-2482 |
| Compound Name: | 4,5-dimethoxy-2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 378.28 |
| Molecular Formula: | C12 H9 F3 N4 O5 S |
| Smiles: | COc1cc(C(Nc2nnc(C(F)(F)F)s2)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5569 |
| logD: | -2.2406 |
| logSw: | -3.0572 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.216 |
| InChI Key: | VFNMJMQBWUDZSY-UHFFFAOYSA-N |